SCHEMBL10308339

SCHEMBL10308339

CC(C)C(=O)CC(C)(O)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
PIK3CD O00329 1/20 0.33
TET2 Q6N021 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10308343 1.00 HMGCR (0.33) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL10308379 1.00 HMGCR (0.33) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL12835664 0.81 HMGCR (0.33) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL13078567 0.81 ALDH1A1 (0.35) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL10308621 0.81 ALDH1A1 (0.35) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL10308364 0.78 CYP1A2 (0.36) PIK3CD
SCHEMBL7917694 0.77 PIK3CD (0.46) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL7910108 0.74 HMGCR (0.33) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL10308344 0.74 KDM4E (0.33) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL11161149 0.73 PIK3CD (0.39) HMGCRCHRM1TBXA2RADRA1APIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2012-07-19 US disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-04-28 US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 US disclosed
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC 2011-02-03 US disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 HMGCR 1992/4885CHRM1 2134/4885TBXA2R 3303/4885
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 HMGCR 1769/4885CHRM1 259/4885TBXA2R 1544/4885
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 HMGCR 1958/4885CHRM1 1071/4885TBXA2R 2027/4885
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 HMGCR 1769/4885CHRM1 259/4885TBXA2R 1544/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA HMGCR 2694/4885CHRM1 1860/4885TBXA2R 4268/4885
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF VIP, TRPV1, LNPEP HMGCR 2170/4885CHRM1 1474/4885TBXA2R 3642/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA HMGCR 2694/4885CHRM1 1860/4885TBXA2R 4268/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.